ChemSpider 2D Image | 4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-{[6-(methoxycarbonyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}piperazin-1-ium | C22H25N4O7S2

4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-{[6-(methoxycarbonyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}piperazin-1-ium

  • Molecular FormulaC22H25N4O7S2
  • Average mass521.586 Da
  • Monoisotopic mass521.115906 Da
  • ChemSpider ID1792441

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-{[6-(methoxycarbonyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}piperazin-1-ium [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-{[6-(methoxycarbonyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}piperazin-1-ium [German] [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-{[6-(méthoxycarbonyl)-5-méthyl-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidin-2-yl]méthyl}pipérazin-1-ium [French] [ACD/IUPAC Name]
Piperazinium, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-1-[[3,4-dihydro-6-(methoxycarbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]methyl]- [ACD/Index Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC03284549 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.53
ACD/KOC (pH 5.5): 332.28
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.86
ACD/KOC (pH 7.4): 336.94
Polar Surface Area: 165 Å2
Polarizability:
Surface Tension:
Molar Volume:

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